Content for NMR-STAR saveframe, "chemical_shift_set_1"

    save_chemical_shift_set_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  chemical_shift_set_1
   _Assigned_chem_shift_list.Entry_ID                      5501
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_cond_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chemical_shift_reference
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

      1   '2D NOESY'               1   $sample_1   .   5501   1
      2   '2D TOCSY'               1   $sample_1   .   5501   1
      3   'Diffusion experiment'   1   $sample_1   .   5501   1
   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Ambiguity_set_ID
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

      1     .   1   1   1    1    ASP   HA     H   1   4.626   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      2     .   1   1   1    1    ASP   HB2    H   1   3.122   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      3     .   1   1   1    1    ASP   HB3    H   1   3.034   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      4     .   1   1   2    2    THR   HA     H   1   4.234   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      5     .   1   1   2    2    THR   HB     H   1   4.177   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      6     .   1   1   2    2    THR   HG21   H   1   1.132   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      7     .   1   1   2    2    THR   HG22   H   1   1.132   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      8     .   1   1   2    2    THR   HG23   H   1   1.132   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      9     .   1   1   3    3    HIS   HA     H   1   4.631   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      10    .   1   1   3    3    HIS   HB2    H   1   3.117   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      11    .   1   1   3    3    HIS   HB3    H   1   3.036   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      12    .   1   1   3    3    HIS   HD2    H   1   7.192   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      13    .   1   1   3    3    HIS   HE1    H   1   8.552   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      14    .   1   1   4    4    PHE   HA     H   1   4.906   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      15    .   1   1   4    4    PHE   HB2    H   1   3.186   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      16    .   1   1   4    4    PHE   HB3    H   1   2.880   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      17    .   1   1   4    4    PHE   HD1    H   1   7.293   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      18    .   1   1   4    4    PHE   HE1    H   1   7.356   0.002   .   3   .   .   .   .   .   .   .   .   .   5501   1
      19    .   1   1   4    4    PHE   HZ     H   1   7.332   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      20    .   1   1   4    4    PHE   HE2    H   1   7.369   0.002   .   3   .   .   .   .   .   .   .   .   .   5501   1
      21    .   1   1   4    4    PHE   HD2    H   1   7.293   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      22    .   1   1   5    5    PRO   HA     H   1   4.501   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      23    .   1   1   5    5    PRO   HB2    H   1   2.202   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      24    .   1   1   5    5    PRO   HB3    H   1   2.038   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      25    .   1   1   5    5    PRO   HG2    H   1   1.983   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      26    .   1   1   5    5    PRO   HG3    H   1   1.885   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      27    .   1   1   5    5    PRO   HD2    H   1   3.769   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      28    .   1   1   5    5    PRO   HD3    H   1   3.612   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      29    .   1   1   6    6    ILE   HA     H   1   4.251   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      30    .   1   1   6    6    ILE   HB     H   1   1.894   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      31    .   1   1   6    6    ILE   HG12   H   1   1.631   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      32    .   1   1   6    6    ILE   HG13   H   1   1.251   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      33    .   1   1   6    6    ILE   HD11   H   1   0.908   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      34    .   1   1   6    6    ILE   HD12   H   1   0.908   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      35    .   1   1   6    6    ILE   HD13   H   1   0.908   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      36    .   1   1   6    6    ILE   HG21   H   1   0.946   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      37    .   1   1   6    6    ILE   HG22   H   1   0.946   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      38    .   1   1   6    6    ILE   HG23   H   1   0.946   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      39    .   1   1   7    7    CYS   HA     H   1   5.478   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      40    .   1   1   7    7    CYS   HB2    H   1   2.625   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      41    .   1   1   7    7    CYS   HB3    H   1   3.154   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      42    .   1   1   8    8    ILE   HA     H   1   4.596   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      43    .   1   1   8    8    ILE   HB     H   1   1.862   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      44    .   1   1   8    8    ILE   HG12   H   1   1.358   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      45    .   1   1   8    8    ILE   HG13   H   1   1.136   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      46    .   1   1   8    8    ILE   HD11   H   1   0.861   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      47    .   1   1   8    8    ILE   HD12   H   1   0.861   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      48    .   1   1   8    8    ILE   HD13   H   1   0.861   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      49    .   1   1   8    8    ILE   HG21   H   1   0.905   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      50    .   1   1   8    8    ILE   HG22   H   1   0.905   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      51    .   1   1   8    8    ILE   HG23   H   1   0.905   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      52    .   1   1   9    9    PHE   HA     H   1   4.779   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      53    .   1   1   9    9    PHE   HB2    H   1   3.001   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      54    .   1   1   9    9    PHE   HB3    H   1   3.001   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      55    .   1   1   9    9    PHE   HD1    H   1   7.092   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      56    .   1   1   9    9    PHE   HE1    H   1   7.279   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      57    .   1   1   9    9    PHE   HZ     H   1   7.214   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      58    .   1   1   9    9    PHE   HE2    H   1   7.279   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      59    .   1   1   9    9    PHE   HD2    H   1   7.092   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      60    .   1   1   10   10   CYS   HA     H   1   4.829   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      61    .   1   1   10   10   CYS   HB2    H   1   3.453   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      62    .   1   1   10   10   CYS   HB3    H   1   3.053   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      63    .   1   1   11   11   CYS   HA     H   1   4.918   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      64    .   1   1   11   11   CYS   HB2    H   1   3.008   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      65    .   1   1   11   11   CYS   HB3    H   1   2.946   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      66    .   1   1   12   12   GLY   HA2    H   1   4.060   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      67    .   1   1   12   12   GLY   HA3    H   1   4.060   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      68    .   1   1   13   13   CYS   HA     H   1   4.928   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      69    .   1   1   13   13   CYS   HB2    H   1   3.388   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      70    .   1   1   13   13   CYS   HB3    H   1   3.241   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      71    .   1   1   14   14   CYS   HB2    H   1   3.240   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      72    .   1   1   14   14   CYS   HB3    H   1   3.114   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      73    .   1   1   15   15   HIS   HD2    H   1   7.209   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      74    .   1   1   15   15   HIS   HE1    H   1   8.588   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      75    .   1   1   16   16   ARG   HA     H   1   4.520   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      76    .   1   1   16   16   ARG   HB2    H   1   1.849   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      77    .   1   1   16   16   ARG   HB3    H   1   1.885   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      78    .   1   1   16   16   ARG   HG2    H   1   1.678   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      79    .   1   1   16   16   ARG   HG3    H   1   1.616   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      80    .   1   1   16   16   ARG   HD2    H   1   3.169   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      81    .   1   1   16   16   ARG   HD3    H   1   3.169   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      82    .   1   1   17   17   SER   HA     H   1   4.365   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      83    .   1   1   17   17   SER   HB2    H   1   3.924   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      84    .   1   1   17   17   SER   HB3    H   1   3.924   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      85    .   1   1   18   18   LYS   HA     H   1   4.452   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      86    .   1   1   18   18   LYS   HB2    H   1   1.937   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      87    .   1   1   18   18   LYS   HB3    H   1   1.937   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      88    .   1   1   18   18   LYS   HG2    H   1   1.852   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      89    .   1   1   18   18   LYS   HG3    H   1   1.496   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      90    .   1   1   18   18   LYS   HD2    H   1   1.852   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      91    .   1   1   18   18   LYS   HD3    H   1   1.852   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      92    .   1   1   18   18   LYS   HE2    H   1   2.984   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      93    .   1   1   18   18   LYS   HE3    H   1   2.984   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      94    .   1   1   19   19   CYS   HA     H   1   5.269   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      95    .   1   1   19   19   CYS   HB2    H   1   3.180   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      96    .   1   1   19   19   CYS   HB3    H   1   2.750   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      97    .   1   1   20   20   GLY   HA2    H   1   4.031   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      98    .   1   1   20   20   GLY   HA3    H   1   3.838   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      99    .   1   1   21   21   MET   HA     H   1   4.937   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      100   .   1   1   21   21   MET   HB2    H   1   1.839   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      101   .   1   1   21   21   MET   HB3    H   1   2.090   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      102   .   1   1   21   21   MET   HG2    H   1   2.640   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      103   .   1   1   21   21   MET   HG3    H   1   2.640   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      104   .   1   1   21   21   MET   HE1    H   1   2.088   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      105   .   1   1   21   21   MET   HE2    H   1   2.088   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      106   .   1   1   21   21   MET   HE3    H   1   2.088   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      107   .   1   1   22   22   CYS   HA     H   1   5.074   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      108   .   1   1   22   22   CYS   HB2    H   1   3.114   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      109   .   1   1   22   22   CYS   HB3    H   1   3.009   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      110   .   1   1   23   23   CYS   HA     H   1   5.523   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      111   .   1   1   23   23   CYS   HB2    H   1   3.016   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      112   .   1   1   23   23   CYS   HB3    H   1   2.866   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      113   .   1   1   24   24   LYS   HA     H   1   4.562   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      114   .   1   1   24   24   LYS   HB2    H   1   1.873   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      115   .   1   1   24   24   LYS   HB3    H   1   1.659   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      116   .   1   1   24   24   LYS   HG2    H   1   1.628   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      117   .   1   1   24   24   LYS   HG3    H   1   1.396   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      118   .   1   1   24   24   LYS   HD2    H   1   1.873   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      119   .   1   1   24   24   LYS   HD3    H   1   1.771   0.002   .   2   .   .   .   .   .   .   .   .   .   5501   1
      120   .   1   1   24   24   LYS   HE2    H   1   2.936   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      121   .   1   1   24   24   LYS   HE3    H   1   2.936   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      122   .   1   1   25   25   THR   HA     H   1   4.236   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      123   .   1   1   25   25   THR   HB     H   1   4.027   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      124   .   1   1   25   25   THR   HG21   H   1   1.071   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      125   .   1   1   25   25   THR   HG22   H   1   1.071   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
      126   .   1   1   25   25   THR   HG23   H   1   1.071   0.002   .   1   .   .   .   .   .   .   .   .   .   5501   1
   stop_
save_